SCHEMBL7785076

SCHEMBL7785076

CC(=O)C1[C]=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
EDNRA P25101 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
THRB P10828 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23092050 0.82 ATM (0.39) POLBALDH1A1TDP1MAPTLMNA
SCHEMBL217948 0.70 BRD4 (0.32)
SCHEMBL7790709 0.70 MAOA (0.33) KMT2AMEN1
SCHEMBL7794484 0.67 HTR2A (0.32)
SCHEMBL1030002 0.67
SCHEMBL7794633 0.66 HTR2A (0.31)
SCHEMBL6355081 0.65 HTR2A (0.32) LMNA
SCHEMBL1026826 0.65 PRCP (0.32)
SCHEMBL5697727 0.64 NOTUM (0.37) POLBALDH1A1SMN1; SMN2NOTUMMAPT
SCHEMBL629577 0.64 POLB (0.36) POLBALDH1A1SMN1; SMN2NOTUMMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed